bis(3-methylbutyl) 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate

Systemtic Name: bis(3-methylbutyl) 2-(4-azanyl-3-fluoranyl-phenyl)-2-methyl-propanedioate Openeye Name: diisopentyl 2-(4-amino-3-fluoro-phenyl)-2-methyl-propanedioate CAS Name: 2-(4-amino-3-fluorophenyl)-2-methylpropanedioic acid bis(3-methylbutyl) ester IUPAC Name: bis(3-methylbutyl) 2-(4-amino-3-fluorophenyl)-2-methylpropanedioate Traditional Name: 2-(4-amino-3-fluoro-phenyl)-2-methyl-malonic acid diisoamyl ester Formula: C20H30FNO4 MolecularWeight: 367.454903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCC(C)C

Isomeric SMILES

CC(C)CCOC(=O)C(C)(C1=CC(=C(C=C1)N)F)C(=O)OCCC(C)C

InChI

InChI=1S/C20H30FNO4/c1-13(2)8-10-25-18(23)20(5,19(24)26-11-9-14(3)4)15-6-7-17(22)16(21)12-15/h6-7,12-14H,8-11,22H2,1-5H3